2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid

C12H13ClFNO3 — CID 117436914

IUPAC2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid
SMILESNC(Cc1cc(F)cc(Cl)c1OC1CC1)C(=O)O
InChIInChI=1S/C12H13ClFNO3/c13-9-5-7(14)3-6(4-10(15)12(16)17)11(9)18-8-1-2-8/h3,5,8,10H,1-2,4,15H2,(H,16,17)
InChIKeyHKFUTIDISPWTHA-UHFFFAOYSA-N
MW273.69 g/mol
LogP1.97
Rot. Bonds5

About 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid

2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid (PubChem CID 117436914) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid
PubChem CID117436914
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Name2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid
SMILESNC(Cc1cc(F)cc(Cl)c1OC1CC1)C(=O)O
InChIInChI=1S/C12H13ClFNO3/c13-9-5-7(14)3-6(4-10(15)12(16)17)11(9)18-8-1-2-8/h3,5,8,10H,1-2,4,15H2,(H,16,17)
InChIKeyHKFUTIDISPWTHA-UHFFFAOYSA-N
XLogP1.97
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
CID 117498947
2-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-hydroxyacetic acid
CID 117405942
1-[(3-chloro-2-cyclopropyloxy-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 117392356
2-amino-3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117482696
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223
2-amino-3-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117470379
2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
2-amino-3-[4-(2,6-dichloro-4-fluorophenyl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-7-yl]propanoic acid
CID 146565470
2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
CID 117418267
3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
2-amino-3-(5-chloro-2,3-dimethoxy-4-methylphenyl)propanoic acid
CID 117437019

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid (CID 117436914) is 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid is NC(Cc1cc(F)cc(Cl)c1OC1CC1)C(=O)O.
What is the InChIKey of 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid?
The InChIKey is HKFUTIDISPWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c13-9-5-7(14)3-6(4-10(15)12(16)17)11(9)18-8-1-2-8/h3,5,8,10H,1-2,4,15H2,(H,16,17).
What are the key properties of 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid?
2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid has a molecular weight of 273.69 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid is sourced from PubChem (CID 117436914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).